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Information card for entry 2008752
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Coordinates | 2008752.cif |
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Structure factors | 2008752.hkl |
Original IUCr paper | HTML |
Chemical name | μ-azido-[μ-4-(3-methyl-2-pyridylamino)-1-(3-methyl-2-pyridylimino)- 1,2-dihydrophthalazin-2-yl]bis[azidocopper(II)] |
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Formula | C20 H17 Cu2 N15 |
Calculated formula | C20 H17 Cu2 N15 |
SMILES | [Cu]12([n]3c(Nc4[n]1[n]1[Cu]([N]2=N#N)(n2cccc(c2=Nc1c1ccccc41)C)N=N#N)c(ccc3)C)N=N#N |
Title of publication | [Cu~2~{1,4-bis[(3-methyl-2-pyridyl)amino]phthalazine ‒H}(N~3~)~3~] at 40K |
Authors of publication | Goeta, Andres E.; Thompson, Laurence K.; Sheppard, Christopher L.; Tandon, Santokh S.; Lehmann, Christian W.; Cosier, John; Webster, Craig; Howard, Judith A.K. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 8 |
Pages of publication | 1243 - 1246 |
a | 8.904 ± 0.002 Å |
b | 14.657 ± 0.003 Å |
c | 17.19 ± 0.003 Å |
α | 90° |
β | 92.266 ± 0.005° |
γ | 90° |
Cell volume | 2241.6 ± 0.8 Å3 |
Cell temperature | 40 ± 2 K |
Ambient diffraction temperature | 30 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for all reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.063 |
Goodness-of-fit parameter for all reflections | 1.056 |
Goodness-of-fit parameter for significantly intense reflections | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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